Acta Cryst. (2013). C69, 927-933 [ doi:10.1107/S0108270113017538 ]
Abstract: The title compound, C17H13NO4, crystallizes in two polymorphic forms, each with two molecules in the asymmetric unit and in the monoclinic space group P21/c. All of the molecules have intramolecular hydrogen bonds involving the amide group. The amide N atoms act as donors to the carbonyl group of the pyrone and also to the methoxy group of the benzene ring. The carbonyl O atom of the amide group acts as an acceptor of the and ' C atoms belonging to the aromatic rings. These intramolecular hydrogen bonds have a profound effect on the molecular conformation. In one polymorph, the molecules in the asymmetric unit are linked to form dimers by weak C-HO interactions. In the other, the molecules in the asymmetric unit are linked by a single weak C-HO hydrogen bond. Two of these units are linked to form centrosymmetric tetramers by a second weak C-HO interaction. Further interactions of this type link the molecules into chains, so forming a three-dimensional network. These interactions in both polymorphs are supplemented by - interactions between the chromone rings and between the chromone and methoxyphenyl rings.
Formula: C17H13NO4 and C17H13NO4
Keywords: crystal structure; polymorphs; pharmaceutical compounds; molecular conformation.
Structure factor file (CIF format) (362.9 kbytes)
Structure factor file (CIF format) (216.1 kbytes)
To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.
The download button will force most browsers to prompt for a file name to store the data on your hard disk.
Where possible, images are represented by thumbnails.
Copyright © International Union of Crystallography